1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

C16H24ClNO2 — CID 103163357

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C16H24ClNO2/c1-4-20-13-7-11(8-13)9-15(18-2)14-10-12(17)5-6-16(14)19-3/h5-6,10-11,13,15,18H,4,7-9H2,1-3H3
InChIKeyIDVJKXZYOZUQRH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.81
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (PubChem CID 103163357) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
PubChem CID103163357
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)c2cc(Cl)ccc2OC)C1
InChIInChI=1S/C16H24ClNO2/c1-4-20-13-7-11(8-13)9-15(18-2)14-10-12(17)5-6-16(14)19-3/h5-6,10-11,13,15,18H,4,7-9H2,1-3H3
InChIKeyIDVJKXZYOZUQRH-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162788
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-methylbutan-1-amine
CID 105140939
2-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanethiol
CID 116830604
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835
1-(5-chloro-2-methoxyphenyl)-N-methylpropane-1,3-diamine
CID 116948362
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
4-bromo-2-[1-bromo-2-(3-ethoxycyclobutyl)ethyl]-1-methoxybenzene
CID 103165706
2-(3-ethoxycyclobutyl)-N-methyl-1-(2-methylthiophen-3-yl)ethanamine
CID 103169830
2-(3-ethoxycyclobutyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 103163180
[1-(4-chlorophenyl)-2-(3-ethoxycyclobutyl)ethyl]hydrazine
CID 103170363
1-(5-chloro-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948837

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (CID 103163357) is 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is CCOC1CC(CC(NC)c2cc(Cl)ccc2OC)C1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The InChIKey is IDVJKXZYOZUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-4-20-13-7-11(8-13)9-15(18-2)14-10-12(17)5-6-16(14)19-3/h5-6,10-11,13,15,18H,4,7-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine has a molecular weight of 297.83 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103163357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).